CID 9638254

3-bromo-n-(2-(2-(4-(dimethylamino)benzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C18H19BrN4O2
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C18H19BrN4O2/c1-23(2)16-8-6-13(7-9-16)11-21-22-17(24)12-20-18(25)14-4-3-5-15(19)10-14/h3-11H,12H2,1-2H3,(H,20,25)(H,22,24)/b21-11+
InChIKey
OBRHBESFMUPIPB-SRZZPIQSSA-N
Compound name
3-bromo-N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.06915 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.07643 183.6
[M+Na]+ 425.05837 184.2
[M+NH4]+ 420.10297 186.2
[M+K]+ 441.03231 184.1
[M-H]- 401.06187 187.0
[M+Na-2H]- 423.04382 187.6
[M]+ 402.06860 183.1
[M]- 402.06970 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.